SCHEMBL7681900

SCHEMBL7681900

CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 1.00
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27501698 0.86 LSS (1.00) LSSMEN1KMT2A
SCHEMBL17358769 0.85 LSS (0.98) LSSMEN1KMT2A
SCHEMBL17358774 0.82 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7688275 0.82 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7687634 0.81 LSS (0.68) LSSMEN1KMT2A
SCHEMBL3674881 0.81 LSS (1.00) LSSMEN1KMT2A
Bromide SCHEMBL7685880 0.80 LSS (0.98) LSSMEN1KMT2A
SCHEMBL7681749 0.79 LSS (0.71) LSSMEN1KMT2A
SCHEMBL7681910 0.79 LSS (0.65) LSSMEN1KMT2A
Fumaric Acid SCHEMBL29455114 0.78 LSS (1.00) LSSMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US claimed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US claimed
CN-1158844-A Tertiary amines HOFFMANN LA ROCHE (CH) 1997-09-10 CN claimed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP claimed
EP-2866810-B9 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER UNIV MISSOURI (US) 2019-06-26 EP disclosed
US-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER THE CURATORS OF THE UNIVERSITY OF MISSOURI 2015-12-24 US disclosed
US-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER THE CURATORS OF THE UNIVERSITY OF MISSOURI 2015-12-24 US disclosed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
CN-1067991-C Aminoalkyl subsetd. benzo-heterocyclic compounds HOFFMANN LA ROCHE (CH) 2001-07-04 CN disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
CN-1161328-A Aminoalkyl subsetd. benzo-heterocyclic compounds HOFFMANN LA ROCHE (CH) 1997-10-08 CN disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150366824-A1 INDUCTION OF ESTROGEN RECEPTOR BETA BY CHOLESTEROL BIOSYNTHESIS INHIBITORS AND METHODS OF TREATMENT OF CANCER ESRRA, ESRRB, ESRRG LSS 276/4885MEN1 4535/4885KMT2A 3444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.